Common name
(E,3R)-1-chloropent-1-en-3-ol
IUPAC name
(E,3R)-1-chloropent-1-en-3-ol
SMILES
ClC=CC(O)CC
Common name
(E,3R)-1-chloropent-1-en-3-ol
IUPAC name
(E,3R)-1-chloropent-1-en-3-ol
SMILES
ClC=CC(O)CC
INCHI
InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h3-5,7H,2H2,1H3/b4-3+/t5-/m1/s1
FORMULA
C5H9ClO
Common name
(E,3R)-1-chloropent-1-en-3-ol
IUPAC name
(E,3R)-1-chloropent-1-en-3-ol
Molecular weight
120.577
clogP
1.139
clogS
-0.803
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00078 | Ethchlorvynol |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; | Used for short-term hypnotic therapy in the management of insomnia for periods of up to one week in duration; however, this medication generally has been replaced by other sedative-hypnotic agents. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_1_16.mol2 | 2fxu | 0.555556 | -5.56 | [C@H](O)(C)C(=C)C | 6 |
| 2zmj_ligand_3_4.mol2 | 2zmj | 0.526316 | -5.93 | C(C=C)[C@@H](O)C | 6 |
| 1s19_ligand_2_5.mol2 | 1s19 | 0.5 | -6.35 | C1(CC1)[C@@H](C=C)O | 7 |
| 2ewp_ligand_3_85.mol2 | 2ewp | 0.5 | -5.83 | C(CO)CC=C | 6 |
| 1k6v_ligand_3_186.mol2 | 1k6v | 0.5 | -5.56 | C(O)CCC=C | 6 |
| 5a0e_ligand_3_687.mol2 | 5a0e | 0.5 | -5.02 | C(=C)C[C@H](CO)C | 7 |
| 1k6v_ligand_4_426.mol2 | 1k6v | 0.454545 | -5.91 | [C@H](O)(CCC=C)C | 7 |
105 ,
11
